2,4-dibenzyl-6-ethylaniline

C22H23N — CID 175391866

IUPAC2,4-dibenzyl-6-ethylaniline
SMILESCCc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1N
InChIInChI=1S/C22H23N/c1-2-20-15-19(13-17-9-5-3-6-10-17)16-21(22(20)23)14-18-11-7-4-8-12-18/h3-12,15-16H,2,13-14,23H2,1H3
InChIKeyRLESPSOVYCYCEA-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.01
Rot. Bonds5

About 2,4-dibenzyl-6-ethylaniline

2,4-dibenzyl-6-ethylaniline (PubChem CID 175391866) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2,4-dibenzyl-6-ethylaniline.

Molecular Properties

Compound Name2,4-dibenzyl-6-ethylaniline
PubChem CID175391866
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2,4-dibenzyl-6-ethylaniline
SMILESCCc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1N
InChIInChI=1S/C22H23N/c1-2-20-15-19(13-17-9-5-3-6-10-17)16-21(22(20)23)14-18-11-7-4-8-12-18/h3-12,15-16H,2,13-14,23H2,1H3
InChIKeyRLESPSOVYCYCEA-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline;aniline
CID 159562254
1-benzyl-2,4-diethylbenzene
CID 139691839
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
2-benzyl-6-[3,5-bis(2-amino-3-benzyl-4-ethylphenyl)phenyl]-3-ethylaniline
CID 19885835
5-benzyl-1,3-dibutyl-2-fluorobenzene
CID 91423755
5-benzyl-2,3-diethylpyridine
CID 59158252
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-ethylbenzene;methane
CID 144571765

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-6-ethylaniline?
The IUPAC name of 2,4-dibenzyl-6-ethylaniline (CID 175391866) is 2,4-dibenzyl-6-ethylaniline.
What is the SMILES notation for 2,4-dibenzyl-6-ethylaniline?
The canonical SMILES for 2,4-dibenzyl-6-ethylaniline is CCc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1N.
What is the InChIKey of 2,4-dibenzyl-6-ethylaniline?
The InChIKey is RLESPSOVYCYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-2-20-15-19(13-17-9-5-3-6-10-17)16-21(22(20)23)14-18-11-7-4-8-12-18/h3-12,15-16H,2,13-14,23H2,1H3.
What are the key properties of 2,4-dibenzyl-6-ethylaniline?
2,4-dibenzyl-6-ethylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-6-ethylaniline is sourced from PubChem (CID 175391866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).